MMsINC Database Search


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MMsINC code: MMs00510492

Type: Neutral
Formula: C₁₇H₁₃ClF₂N₂O₂

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)c2ccc(F)cc2)ccc1F

InChI:

InChI=1/C17H13ClF2N2O2/c18-14-8-12(3-6-15(14)20)21-17(24)10-7-16(23)22(9-10)13-4-1-11(19)2-5-13/h1-6,8,10H,7,9H2,(H,21,24)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8682 kcal/mol

Physical Properties
Molecular Weight: 350.752 g/mol	logS: -4.5889	SlogP: 3.6098	Reactive groups: 0

Topological Properties
Globularity: 0.023006	Sterimol/B1: 2.37477	Sterimol/B2: 3.42202	Sterimol/B3: 3.77128
Sterimol/B4: 6.29651	Sterimol/L: 17.8312

Surface and Volume Properties
Accessible surface: 557.576	Positive charged surface: 265.202	Negative charged surface: 292.373	Volume: 293.375
Hydrophobic surface: 485.907	Hydrophilic surface: 71.669

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.